[4-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]ethoxycarbonyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]ethoxycarbonyl]phenyl] 4-methylbenzoate Openeye Name: [4-[2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]ethoxycarbonyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]ethoxy-oxomethyl]phenyl] ester IUPAC Name: [4-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethoxycarbonyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-[4-(2-keto-2-morpholino-ethyl)piperazino]ethoxycarbonyl]phenyl] ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCN3CCN(CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCN3CCN(CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C27H33N3O6/c1-21-2-4-23(5-3-21)27(33)36-24-8-6-22(7-9-24)26(32)35-19-14-28-10-12-29(13-11-28)20-25(31)30-15-17-34-18-16-30/h2-9H,10-20H2,1H3